2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D458-0064 |
| Compound Name: | 2-[2-(4-chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C20 H23 Cl N6 O |
| Smiles: | Cc1c(CC(N2CCN(C)CC2)=O)c(C)n2c(n1)nc(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 2.3535 |
| logD: | 2.1274 |
| logSw: | -3.0813 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.702 |
| InChI Key: | DJCNNRKXDXEJTK-UHFFFAOYSA-N |